benzene;methylurea

C8H12N2O — CID 21413609

IUPACbenzene;methylurea
SMILESCNC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.C2H6N2O/c1-2-4-6-5-3-1;1-4-2(3)5/h1-6H;1H3,(H3,3,4,5)
InChIKeyKLLQHUGDYQIFHE-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds

About benzene;methylurea

benzene;methylurea (PubChem CID 21413609) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is benzene;methylurea.

Molecular Properties

Compound Namebenzene;methylurea
PubChem CID21413609
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Namebenzene;methylurea
SMILESCNC(N)=O.c1ccccc1
InChIInChI=1S/C6H6.C2H6N2O/c1-2-4-6-5-3-1;1-4-2(3)5/h1-6H;1H3,(H3,3,4,5)
InChIKeyKLLQHUGDYQIFHE-UHFFFAOYSA-N
XLogP0.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;methylurea?
The IUPAC name of benzene;methylurea (CID 21413609) is benzene;methylurea.
What is the SMILES notation for benzene;methylurea?
The canonical SMILES for benzene;methylurea is CNC(N)=O.c1ccccc1.
What is the InChIKey of benzene;methylurea?
The InChIKey is KLLQHUGDYQIFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H6N2O/c1-2-4-6-5-3-1;1-4-2(3)5/h1-6H;1H3,(H3,3,4,5).
What are the key properties of benzene;methylurea?
benzene;methylurea has a molecular weight of 152.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methylurea is sourced from PubChem (CID 21413609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).